BDCRB

CAT: 0127-BUP07284-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07284-06Size:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

142356-43-2

Purity

=98%

Smiles

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12

Chemical Information

Bdcrb

CAS Number	142356-43-2
PubChem CID	465094
IUPAC Name	(2R,3R,4S,5R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Formula	C12H11BrCl2N2O4
Molecular Weight	398.03
XLogP	2.1
Topological Polar Surface Area	87.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	396

SMILES

C1=C2C(=CC(=C1Cl)Cl)N(C(=N2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C12H11BrCl2N2O4/c13-12-16-6-1-4(14)5(15)2-7(6)17(12)11-10(20)9(19)8(3-18)21-11/h1-2,8-11,18-20H,3H2/t8-,9-,10-,11-/m1/s1

InChIKey

NMAMPJIAXSGTLN-GWOFURMSSA-N

Chemical Structure

2D Structure

CAS: 142356-43-2

CID: 465094

Formula: C12H11BrCl2N2O4

MW: 398.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.03
XLogP3	2.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	395.92792
Monoisotopic Mass	395.92792
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	396
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-19296	BDCRB